8-but-2-enoxy-2,7-dimethylocta-1,6-diene

C14H24O — CID 142763698

IUPAC8-but-2-enoxy-2,7-dimethylocta-1,6-diene
SMILESC=C(C)CCCC=C(C)COCC=CC
InChIInChI=1S/C14H24O/c1-5-6-11-15-12-14(4)10-8-7-9-13(2)3/h5-6,10H,2,7-9,11-12H2,1,3-4H3
InChIKeyHXFBRFZAFAYPNK-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.27
Rot. Bonds8

About 8-but-2-enoxy-2,7-dimethylocta-1,6-diene

8-but-2-enoxy-2,7-dimethylocta-1,6-diene (PubChem CID 142763698) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 8-but-2-enoxy-2,7-dimethylocta-1,6-diene.

Molecular Properties

Compound Name8-but-2-enoxy-2,7-dimethylocta-1,6-diene
PubChem CID142763698
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name8-but-2-enoxy-2,7-dimethylocta-1,6-diene
SMILESC=C(C)CCCC=C(C)COCC=CC
InChIInChI=1S/C14H24O/c1-5-6-11-15-12-14(4)10-8-7-9-13(2)3/h5-6,10H,2,7-9,11-12H2,1,3-4H3
InChIKeyHXFBRFZAFAYPNK-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-but-2-enoxy-2,7-dimethylocta-1,6-diene?
The IUPAC name of 8-but-2-enoxy-2,7-dimethylocta-1,6-diene (CID 142763698) is 8-but-2-enoxy-2,7-dimethylocta-1,6-diene.
What is the SMILES notation for 8-but-2-enoxy-2,7-dimethylocta-1,6-diene?
The canonical SMILES for 8-but-2-enoxy-2,7-dimethylocta-1,6-diene is C=C(C)CCCC=C(C)COCC=CC.
What is the InChIKey of 8-but-2-enoxy-2,7-dimethylocta-1,6-diene?
The InChIKey is HXFBRFZAFAYPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-6-11-15-12-14(4)10-8-7-9-13(2)3/h5-6,10H,2,7-9,11-12H2,1,3-4H3.
What are the key properties of 8-but-2-enoxy-2,7-dimethylocta-1,6-diene?
8-but-2-enoxy-2,7-dimethylocta-1,6-diene has a molecular weight of 208.34 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-2-enoxy-2,7-dimethylocta-1,6-diene is sourced from PubChem (CID 142763698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).